惯性聚合 高效追踪和阅读你感兴趣的博客、新闻、科技资讯
阅读原文 在惯性聚合中打开

推荐订阅源

博客园 - 叶小钗
D
Docker
GbyAI
GbyAI
Y
Y Combinator Blog
Google DeepMind News
Google DeepMind News
G
Google Developers Blog
P
Proofpoint News Feed
云风的 BLOG
云风的 BLOG
雷峰网
雷峰网
H
Hackread – Cybersecurity News, Data Breaches, AI and More
Stack Overflow Blog
Stack Overflow Blog
WordPress大学
WordPress大学
小众软件
小众软件
Engineering at Meta
Engineering at Meta
酷 壳 – CoolShell
酷 壳 – CoolShell
I
InfoQ
B
Blog
H
Help Net Security
钛媒体:引领未来商业与生活新知
钛媒体:引领未来商业与生活新知
博客园 - 聂微东
The GitHub Blog
The GitHub Blog
A
About on SuperTechFans
B
Blog RSS Feed
Microsoft Security Blog
Microsoft Security Blog

cs.DS updates on arXiv.org

PAC Learning with Bandit Feedback: Sharp Sample Complexity in the Realizable Setting Algorithms with Polynomially-Improved Approximation Factors for the $2 \rightarrow q$ Norm, and Applications A computational phase transition for learning-to-sample from Ising models Covering vertices by sequential stars Fermi-Dirac machines as quantizations of neurons A Comprehensive Evaluation of Vertex Elimination Algorithms for Algorithmic Differentiation A Tight Bound on Localization of Electrical Flows Optimal Dimension-Free Sampling for Regularized Classification Reducing the Randomness in Partition Oracles for Bounded Degree Minor-Free Graphs Beyond the Half-Approximation: Fair and Efficient Online Class Matching Efficient Uniform Sampling of Surjections via their Profiles Tractable Maximization of Budgeted Phylogenetic Diversity on Networks Utilizing Node Scanwidth Fairness in Aggregation: Optimal Top-$k$ and Improved Full Ranking Learning-Augmented Online Scheduling with Parsimonious Preemption Entropy Equivalence Testing Lumberjack: Better Differentially Private Random Forests through Heavy Hitter Detection in Trees The Secretary Problem with a Stochastic Precursor Polynomial-Time Robust Multiclass Linear Classification under Gaussian Marginals Efficient Banzhaf-Based Data Valuation for $k$-Nearest Neighbors Classification Block-Sphere Vector Quantization An Approximation Algorithm for Graph Label Selection Iterative Chow Filtering for Learning with Distribution Shift Complexity of Non-Log-Concave Sampling in Fisher Information Stochastic Matching via Local Sparsification Finite Sample Bounds for Learning with Score Matching What is Learnable in Valiant's Theory of the Learnable? Provable Quantization with Randomized Hadamard Transform Min-Max Optimization Requires Exponentially Many Queries Fast and Compact Graph Cuts for the Boykov-Kolmogorov Algorithm A proximal gradient algorithm for composite log-concave sampling
Enumerating Chemical Graphs with Two Disjoint Cycles Sati...
Kyousuke Yamashita, Ryuji Masui, Xiang Zhou, Chenxi Wang, Aleksa · 2020-04-18 · via cs.DS updates on arXiv.org

Enumerating chemical graphs satisfying given constraints is a fundamental problem in mathematical and computational chemistry, and plays an essential part in a recently proposed framework for the inverse QSAR/QSPR. In this paper, constraints are given by feature vectors each of which consists of the frequencies of paths in a given set of paths. We consider the problem of enumerating chemical graphs that satisfy the path frequency constraints, which are given by a pair of feature vectors specifying upper and lower bounds of the frequency of each path. We design a branch-and-bound algorithm for enumerating chemical graphs of bi-block 2-augmented structure, that is, graphs that contain two edge-disjoint cycles. We present some computational experiments with an implementation of our proposed algorithm.